8,9,12-Trihydroxy-6,14,15,21,22-pentamethyl-10-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
| Internal ID | 5ad6e7c2-5e6e-48d2-88cc-3c2c9177303c |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 8,9,12-trihydroxy-6,14,15,21,22-pentamethyl-10-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H42O6/c1-13-7-8-28-10-9-27(6)26(5)12-16(30)18-15(3)19(32)17(31)11-25(18,4)22(26)20-23(34-20)29(27,35-24(28)33)21(28)14(13)2/h13-14,16-23,30-32H,3,7-12H2,1-2,4-6H3 |
| InChI Key | GHRQIBWIWKHOMI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H42O6 |
| Molecular Weight | 486.60 g/mol |
| Exact Mass | 486.29813906 g/mol |
| Topological Polar Surface Area (TPSA) | 99.50 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 8,9,12-Trihydroxy-6,14,15,21,22-pentamethyl-10-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one](https://plantaedb.com/storage/docs/compounds/2023/11/220bacb0-85ee-11ee-87d2-fd326cd19cf8.jpg "2D Structure of 8,9,12-Trihydroxy-6,14,15,21,22-pentamethyl-10-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 90.73% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.66% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.23% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.52% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.91% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.02% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.56% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.54% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.73% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.62% | 93.04% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.45% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.42% | 96.61% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.11% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.01% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.68% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.60% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.11% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.85% | 92.94% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.66% | 97.05% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.34% | 94.80% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.21% | 82.69% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Helwingia chinensis |
| PubChem | 85110085 |
| LOTUS | LTS0109575 |
| wikiData | Q105008697 |